EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73452 - methoctramine tetrahydrochloride

ChEBI IDCHEBI:73452
ChEBI Namemethoctramine tetrahydrochloride
Stars
DefinitionA hydrochloride obtained by combining methoctramine with four molar equivalents of hydrochloric acid.
Last Modified1 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC36H62N4O2.4HCl
Net Charge0
Average Mass728.762
Monoisotopic Mass726.39399
SMILESCOc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC.Cl.Cl.Cl.Cl
InChIInChI=1S/C36H62N4O2.4ClH/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2;;;;/h11-14,21-24,37-40H,3-10,15-20,25-32H2,1-2H3;4*1H
InChIKeyCDKGGOUDHGSFAF-UHFFFAOYSA-N
Roles Classification
Biological Role:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
Application:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
ChEBI Ontology
Outgoing Relation(s)
methoctramine tetrahydrochloride (CHEBI:73452) has part methoctramine(4+) (CHEBI:73453)
methoctramine tetrahydrochloride (CHEBI:73452) has role muscarinic antagonist (CHEBI:48876)
methoctramine tetrahydrochloride (CHEBI:73452) is a hydrochloride (CHEBI:36807)
IUPAC Names 
N,N'-bis{6-[(2-methoxybenzyl)azaniumyl]hexyl}octane-1,8-diaminium tetrachloride
N,N'-bis{6-[(2-methoxybenzyl)amino]hexyl}octane-1,8-diamine tetrahydrochloride
Synonyms  Source
methoctramine hydrochlorideChEBI
MethoctramineChEBI
Registry NumbersSources
Reaxys:5471061Reaxys
CAS:104807-46-7ChemIDplus
Citations